Ultrafast Vibrational Cooling Inside of a Molecular Container

Yaroslav V. Aulin, Mengdi Liu, Piotr Piotrowiak

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7 Scopus citations


Vibrational cooling of azulene encapsulated in a hemicarcerand molecular container was studied by pump-probe spectroscopy. Within 1.5 ps of excitation of azulene to the S1 state, rapid internal conversion through a conical intersection leads to the formation of a vibrationally hot (∼1080 K) ground state, the subsequent cooling of which can be monitored by tracking the evolution of the red-shifted hot band at the edge of the ground-state absorption. It was found that the cooling of the hot S0 state of azulene in the host-guest complex (hemicarceplex) is 2-4 times faster than that in common organic solvents. Such large acceleration points to a high density of matching vibrational modes and efficient mechanical coupling between the guest and the host. The experimental observations were fully corroborated by the results of molecular dynamics simulations.

Original languageEnglish (US)
Pages (from-to)2434-2438
Number of pages5
JournalJournal of Physical Chemistry Letters
Issue number10
StatePublished - May 16 2019

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physical and Theoretical Chemistry


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